CID 10511797

Tert-butyl (2s)-2-(hydroxymethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)N1CC[C@H]1CO
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h7,11H,4-6H2,1-3H3/t7-/m0/s1
InChIKey
XIRUXUKRGUFEKC-ZETCQYMHSA-N
Compound name
tert-butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

538
Patents

187.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 143.4
[M+Na]+ 210.11007 148.5
[M-H]- 186.11357 144.2
[M+NH4]+ 205.15467 155.0
[M+K]+ 226.08401 151.3
[M+H-H2O]+ 170.11811 132.9
[M+HCOO]- 232.11905 160.1
[M+CH3COO]- 246.13470 183.0
[M+Na-2H]- 208.09552 146.7
[M]+ 187.12030 152.7
[M]- 187.12140 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe